Author results

2VPP
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DROSOPHILA MELANOGASTER DEOXYRIBONUCLEOSIDE KINASE SUCCESSFULLY ACTIVATES GEMCITABINE IN TRANSDUCED CANCER CELL LINES
Descriptor:DEOXYNUCLEOSIDE KINASE, GEMCITABINE, SULFATE ION
Authors:Knecht, W., Mikkelsen, N.E., Clausen, A., Willer, M., Gojkovic, Z., Piskur, J.
Deposit date:2008-03-03
Release date:2009-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Drosophila Melanogaster Deoxyribonucleoside Kinase Activates Gemcitabine.
Biochem.Biophys.Res.Commun., 382, 2009
1J90
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CRYSTAL STRUCTURE OF DROSOPHILA DEOXYRIBONUCLEOSIDE KINASE
Descriptor:Deoxyribonucleoside kinase, SULFATE ION, 2'-DEOXYCYTIDINE
Authors:Johansson, K., Ramaswamy, S., Ljungkrantz, C., Knecht, W., Piskur, J., Munch-Petersen, B., Eriksson, S., Eklund, H.
Deposit date:2001-05-23
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural basis for substrate specificities of cellular deoxyribonucleoside kinases.
Nat.Struct.Biol., 8, 2001
1OE0
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CRYSTAL STRUCTURE OF DROSOPHILA DEOXYRIBONUCLEOSIDE KINASE IN COMPLEX WITH DTTP
Descriptor:DEOXYRIBONUCLEOSIDE KINASE, THYMIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Mikkelsen, N.E., Johansson, K., Karlsson, A., Knecht, W., Andersen, G., Piskur, J., Munch-Petersen, B., Eklund, H.
Deposit date:2003-03-17
Release date:2003-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Feedback Inhibition of the Deoxyribonucleoside Salvage Pathway:Studies of the Drosophila Deoxyribonucleoside Kinase
Biochemistry, 42, 2003
1OT3
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CRYSTAL STRUCTURE OF DROSOPHILA DEOXYRIBONUCLEOTIDE KINASE COMPLEXED WITH THE SUBSTRATE DEOXYTHYMIDINE
Descriptor:Deoxyribonucleoside Kinase, SULFATE ION, THYMIDINE
Authors:Mikkelsen, N.E., Johansson, K., Karlsson, A., Knecht, W., Andersen, G., Piskur, J., Munch-Petersen, B., Eklund, H.
Deposit date:2003-03-21
Release date:2003-05-27
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Feedback Inhibition of the Deoxyribonucleoside Salvage Pathway: Studies of the Drosophila Deoxyribonucleoside Kinase.
Biochemistry, 42, 2003
1ZM7
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CRYSTAL STRUCTURE OF D. MELANOGASTER DEOXYRIBONUCLEOSIDE KINASE MUTANT N64D IN COMPLEX WITH DTTP
Descriptor:Deoxynucleoside kinase, THYMIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Welin, M., Skovgaard, T., Knecht, W., Berenstein, D., Munch-Petersen, B., Piskur, J., Eklund, H.
Deposit date:2005-05-10
Release date:2005-05-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
1ZMX
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CRYSTAL STRUCTURE OF D. MELANOGASTER DEOXYRIBONUCLEOSIDE KINASE N64D MUTANT IN COMPLEX WITH THYMIDINE
Descriptor:Deoxynucleoside kinase, SULFATE ION, THYMIDINE
Authors:Welin, M., Skovgaard, T., Knecht, W., Berenstein, D., Munch-Petersen, B., Piskur, J., Eklund, H.
Deposit date:2005-05-11
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
2OCP
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CRYSTAL STRUCTURE OF HUMAN DEOXYGUANOSINE KINASE
Descriptor:Deoxyguanosine kinase, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
Authors:Johansson, K., Ramaswamy, S., Ljungkrantz, C., Knecht, W., Piskur, J., Munch-Petersen, B., Eriksson, S., Eklund, H.
Deposit date:2006-12-21
Release date:2007-01-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Substrate Specificities of Cellular Deoxyribonucleoside Kinases.
Nat.Struct.Biol., 8, 2001
4AEL
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PDE10A IN COMPLEX WITH THE INHIBITOR AZ5
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ZINC ION, ...
Authors:Bauer, U., Giordanetto, F., Bauer, M., OMahony, G., Johansson, K.E., Knecht, W., Hartleib-Geschwindner, J., Toppner Carlsson, E., Enroth, C., Sjogren, T.
Deposit date:2012-01-11
Release date:2012-01-25
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 4-Hydroxy-1,6-Naphthyridine-3-Carbonitrile Derivatives as Novel Pde10A Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4BV5
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IDENTIFICATION OF SMALL MOLECULE INHIBITORS SELECTIVE FOR APO(A) KRINGLES KIV-7, KIV-10 AND KV.
Descriptor:APOLIPOPROTEIN(A), 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
Authors:Sandmark, J., Althage, M., Andersson, G.M.K., Antonsson, T., Blaho, S., Bodin, C., Bostrom, J., Chen, Y., Dahlen, A., Eriksson, P.O., Evertsson, E., Fex, T., Fjellstrom, O., Gustafsson, D., Hallberg, C., Hicks, R., Jarkvist, E., Johansson, C., Kalies, I., Kang, D., Svalstedt Karlsson, B., Kartberg, F., Legnehed, A., Lindqvist, A.M., Martinsson, S.A., Moberg, A., Petersson, A.U., Ridderstrom, M., Thelin, A., Tigerstrom, A., Vinblad, J., Xu, B., Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BV7
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IDENTIFICATION OF SMALL MOLECULE INHIBITORS SELECTIVE FOR APO(A) KRINGLES KIV-7, KIV-10 AND KV.
Descriptor:APOLIPOPROTEIN(A), ACETATE ION, 3-(4-piperidyl)propanoic acid
Authors:Sandmark, J., Althage, M., Andersson, G.M.K., Antonsson, T., Blaho, S., Bodin, C., Bostrom, J., Chen, Y., Dahlen, A., Eriksson, P.O., Evertsson, E., Fex, T., Fjellstrom, O., Gustafsson, D., Hallberg, C., Hicks, R., Jarkvist, E., Johansson, C., Kalies, I., Kang, D., Svalstedt Karlsson, B., Kartberg, F., Legnehed, A., Lindqvist, A.M., Martinsson, S.A., Moberg, A., Petersson, A.U., Ridderstrom, M., Thelin, A., Tigerstrom, A., Vinblad, J., Xu, B., Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVC
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IDENTIFICATION OF SMALL MOLECULE INHIBITORS SELECTIVE FOR APO(A) KRINGLES KIV-7, KIV-10 AND KV.
Descriptor:APOLIPOPROTEIN(A), CHLORIDE ION, 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE, ...
Authors:Sandmark, J., Althage, M., Andersson, G.M.K., Antonsson, T., Blaho, S., Bodin, C., Bostrom, J., Chen, Y., Dahlen, A., Eriksson, P.O., Evertsson, E., Fex, T., Fjellstrom, O., Gustafsson, D., Hallberg, C., Hicks, R., Jarkvist, E., Johansson, C., Kalies, I., Kang, D., Svalstedt Karlsson, B., Kartberg, F., Legnehed, A., Lindqvist, A.M., Martinsson, S.A., Moberg, A., Petersson, A.U., Ridderstrom, M., Thelin, A., Tigerstrom, A., Vinblad, J., Xu, B., Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVD
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IDENTIFICATION OF SMALL MOLECULE INHIBITORS SELECTIVE FOR APO(A) KRINGLES KIV-7, KIV-10 AND KV.
Descriptor:APOLIPOPROTEIN(A), CHLORIDE ION, 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
Authors:Sandmark, J., Althage, M., Andersson, G.M.K., Antonsson, T., Blaho, S., Bodin, C., Bostrom, J., Chen, Y., Dahlen, A., Eriksson, P.O., Evertsson, E., Fex, T., Fjellstrom, O., Gustafsson, D., Hallberg, C., Hicks, R., Jarkvist, E., Johansson, C., Kalies, I., Kang, D., Svalstedt Karlsson, B., Kartberg, F., Legnehed, A., Lindqvist, A.M., Martinsson, S.A., Moberg, A., Petersson, A.U., Ridderstrom, M., Thelin, A., Tigerstrom, A., Vinblad, J., Xu, B., Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-16
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVV
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IDENTIFICATION OF SMALL MOLECULE INHIBITORS SELECTIVE FOR APO(A) KRINGLES KIV-7, KIV-10 AND KV.
Descriptor:APOLIPOPROTEIN(A), 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, SULFATE ION
Authors:Sandmark, J., Althage, M., Andersson, G.M.K., Antonsson, T., Blaho, S., Bodin, C., Bostrom, J., Chen, Y., Dahlen, A., Eriksson, P.O., Evertsson, E., Fex, T., Fjellstrom, O., Gustafsson, D., Hallberg, C., Hicks, R., Jarkvist, E., Johansson, C., Kalies, I., Kang, D., Svalstedt Karlsson, B., Kartberg, F., Legnehed, A., Lindqvist, A.M., Martinsson, S.A., Moberg, A., Petersson, A.U., Ridderstrom, M., Thelin, A., Tigerstrom, A., Vinblad, J., Xu, B., Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVW
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IDENTIFICATION OF SMALL MOLECULE INHIBITORS SELECTIVE FOR APO(A) KRINGLES KIV-7, KIV-10 AND KV.
Descriptor:APOLIPOPROTEIN(A), CHLORIDE ION, 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, ...
Authors:Sandmark, J., Althage, M., Andersson, G.M.K., Antonsson, T., Blaho, S., Bodin, C., Bostrom, J., Chen, Y., Dahlen, A., Eriksson, P.O., Evertsson, E., Fex, T., Fjellstrom, O., Gustafsson, D., Hallberg, C., Hicks, R., Jarkvist, E., Johansson, C., Kalies, I., Kang, D., Svalstedt Karlsson, B., Kartberg, F., Legnehed, A., Lindqvist, A.M., Martinsson, S.A., Moberg, A., Petersson, A.U., Ridderstrom, M., Thelin, A., Tigerstrom, A., Vinblad, J., Xu, B., Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4CR5
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XIA, 6-chloroquinolin-2(1H)-one, SULFATE ION
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-25
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR9
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, 4-methylquinoline-2,6-diamine, SULFATE ION
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRA
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRB
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRC
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, SULFATE ION
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRD
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRE
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, 6-chloro-4-methyl-1H-quinolin-2-one, SULFATE ION
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRF
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, ALANINE, GLYCEROL, ...
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRG
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, GLYCEROL, 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, ...
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
3PO1
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THROMBIN IN COMPLEX WITH BENZOTHIAZOLE GUANIDINE
Descriptor:Thrombin light chain, Thrombin heavy chain, thrombin peptide, ...
Authors:Xue, Y.
Deposit date:2010-11-21
Release date:2011-11-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.
Bioorg.Med.Chem.Lett., 22, 2012
6FJI
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JOINT NEUTRON AND X-RAY CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE IX MIMIC (APO).
Descriptor:Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.6 Å), NEUTRON DIFFRACTION
Cite:Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
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